Li1Y1Zn2
This is a ternary intermetallic compound composed of lithium, yttrium, and zinc. It is primarily studied in materials science research for its structural properties and potential behavior in solid-state chemistry.
LiYZn
Overview
Key Properties
Cross-validated computational properties for Li1Y1Zn2, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
0.26 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
1.813 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
2 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li1Y1Zn2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.26 | 1.8132 | -8.621 | 0.34 |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
Uses
Applications
Where Li1Y1Zn2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Li1Y1Zn2, answered from cross-validated data.
What is Li1Y1Zn2?
This is a ternary intermetallic compound composed of lithium, yttrium, and zinc. It is primarily studied in materials science research for its structural properties and potential behavior in solid-state chemistry.
More questions
What is Li1Y1Zn2 used for?
Li1Y1Zn2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Li1Y1Zn2?
Li1Y1Zn2 has a DFT-computed band gap of 0.26 eV across 26 reported structures.
Is Li1Y1Zn2 a metal, semiconductor, or insulator?
With a band gap up to 0.26 eV it is a semiconductor.
Is Li1Y1Zn2 thermodynamically stable?
Li1Y1Zn2 has a lowest energy above hull of 1.813 eV/atom (above hull).
What is the crystal structure of Li1Y1Zn2?
The lowest-energy reported polymorph of Li1Y1Zn2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Li1Y1Zn2?
The computed density of the ground-state structure of Li1Y1Zn2 is 0.34 g/cm³.
How many polymorphs of Li1Y1Zn2 are known?
26 structures of Li1Y1Zn2 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Li1Y1Zn2 contain?
Li1Y1Zn2 contains Li, Y, and Zn (3 elements).
Where does the data for Li1Y1Zn2 come from?
Li1Y1Zn2 data is cross-referenced from materials_project, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Li1Y1Zn2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →